Vitas-M small molecule compound
4-[(2-ammonio-2-carboxyethyl)sulfanyl]-6-methoxy-2-phenylquinolinium
Catalog ID
STL129469
SMILES COc1ccc2c(c1)c(SCC(C(=O)O)[NH3+])cc([nH+]2)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H20N2O3S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-24-13-7-8-16-14(9-13)18(25-11-15(20)19(22)23)10-17(21-16)12-5-3-2-4-6-12/h2-10,15H,11,20H2,1H3,(H,22,23)/p+2InChIKey
RRMSUEYOXBNEGC-UHFFFAOYSA-PSynonyms
(1carboxy2(6methoxy2phenylquinolin1ium4yl)sulfanylethyl)azanium
4((2ammonio2carboxyethyl)sulfanyl)6methoxy2phenylquinolinium
COC1=CC2=C(C=C1)(NH+)=C(C=C2SCC(C(=O)O)(NH3+))C3=CC=CC=C3
COc1ccc2c(c1)c(SCC(C(=O)O)(NH3+))cc((nH+)2)c1ccccc1
InChI=1SC19H18N2O3Sc12413781614(913)18(251115(20)19(22)23)1017(2116)125324612h21015H1120H21H3(H2223)p+2
ZINC000067321016
ZINC000067321018
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